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Chemical Structure| 68867-19-6 Chemical Structure| 68867-19-6

Structure of 68867-19-6

Chemical Structure| 68867-19-6

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Product Details of [ 68867-19-6 ]

CAS No. :68867-19-6
Formula : C10H10N2OS
M.W : 206.26
SMILES Code : CC(NC1=CC=C2N=C(C)SC2=C1)=O
MDL No. :MFCD00656936

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Application In Synthesis of [ 68867-19-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 68867-19-6 ]

[ 68867-19-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 68867-19-6 ]
  • [ 3839-35-8 ]
  • 6-acetamido-3-hexyl-2-methylbenzothiazol-3-ium p-toluenesulfonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
63% at 120℃; for 25h; A mixture of 6-acetamide-2-methylbenzothiazole (1 mmol) and hexyl p-toluenesulfonate (1,2 mmol) was heated at temperature of 120 C for 25 h. The solid so formed was recrystallized from dichloromethane. After cooling, diethyl ether was added and the precipitate was filtered under reduced pressure. Orange powder. Yield: 63%. mp: 187-189 C. IR (υmax/cm-1): 3247, 3188, 3116, 3033, 2957, 2923, 2856, 1685 (C=O), 1592, 1560, 1438, 1373, 1345, 1274, 1218, 1181 (S=O), 1122, 1052, 1032, 1009, 901, 826, 814, 680. 1H NMR (400 Hz, DMSO-d6): δ (ppm) = 10.58 (s, 1H, NH), 8.72 (d, 1H, J = 2.0 Hz, 7-ArH), 8.15 (d, 1H, J = 8.2 Hz, 4-ArH), 7.79 (dd, 1H, J = 9.2 Hz, 2.1 Hz, 5-ArH), 7.48 (d, 2H, J = 8.0 Hz, 2*ArH Ts), 7.10 (d, 2H, J = 7.9 Hz, 2*ArH Ts), 4.58 (t, 2H, J = 7.9 Hz, NCH2), 3.09 (s, 3H, 2-CH3), 2.24 (s, 3H, CH3 Ts), 2.10 (s, 3H, NHCOCH3), 1.78 (qt, 2H, J = 7.7 Hz, NCH2CH2), 1.36 (qt, 2H, J = 7.3 Hz, N(CH2)2CH2), 1.30-1.17 (m, 4H, N(CH2)3CH2CH2), 0.81 (t, 3H, J = 7.0 Hz, N(CH2)5CH3). 13C NMR (101 MHz, DMSO-d6): δ (ppm) = 174.9 (C), 169.1 (C), 145.5 (C), 139.1 (C), 137.7 (C), 136.3 (C), 130.1 (C), 128.1 (2*ArCH Ts), 125.5 (2*ArCH Ts), 121.8 (5-ArCH), 117.1 (4-ArCH), 112.8 (7-ArCH), 49.2 (NCH2), 30.8 (CH2), 27.8 (NCH2CH2), 25.8 (N(CH2)2CH2), 24.1 (NHCOCH3), 21.9 (CH2), 20.8 (CH3 Ts), 16.6 (2-CH3), 13.9 (N(CH2)5CH3. HRMS (ESI-TOF) m/z: 291.1522 (291.1526 calcd for C16H23N2OS, [M+]).
 

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